Posts in category Post Docs

Tai Bui

Unknown Contact

Email: tai.bui.14@ucl.ac.uk

Office: room 348, Kathleen Lonsdale Building, UCL

 

Research interests

Tai specializes in molecular simulations for gas and oil applications. He is working with the research team in an oil company to explore key mechanisms and chemistries across upstream technologies. He will also transfer his knowledge in state-of-the-art molecular simulation techniques to the company and play a key role in building a digital lab, which will help reduce the cost of doing expensive lab experiments.

Sam Azadi

IMG_20180531_132521_798 Contact

Email: s.azadi@ucl.ac.uk

Office: room 357, Kathleen Lonsdale Building, UCL

Piero Gasparotto

cv_blurred Contact

Email: p.gasparotto@ucl.ac.uk

Office: room 348, Kathleen Lonsdale Building, UCL

Tel: +44 (0) 20 76797909

Ext: 379 09

Research interests

My research focuses on the development of new machine-learning frameworks to improve our understanding of complex materials and biomolecules. I’m particularly interested in the use of pattern recognition approaches to identify and clarify local and global patterns in materials, but also in the development of new machine-learning potentials capable of producing very accurate simulations at a fraction of the cost of state-of-the-art ab-intio methods.

Dr. Christopher Penschke

portrait Contact

Email: c.penschke@ucl.ac.uk

Office: room 357, Kathleen Lonsdale Building, UCL

Web: ORCID

My research focuses on the water – titanium dioxide (titania) interface. In particular, I use density functional theory to analyze how sodium and chloride ions affect the interface structure and look at factors that may affect the water – titania interaction, such as lattice strain.

Dr. J. Gerit Brandenburg

Dr. Jan Gerit Brandenburg

Dr. Andrea Zen

Dr. Ji Chen

Dr. Gabriele Cesare Sosso

News

ice-surface_NatureReviewsChemistry

Nature Reviews Chemistry on surface premelting of water ice published!

In a recently published Nature Reviews Chemistry article, titled “Surface premelting of water ice”, Ben Slater and Angelos review the current understanding of the quasi-liquid layer (QLL) that forms on the surface of ice. The review describes how advances in experimental and computational techniques furthered our understanding in the years since Faraday first postulated the […]

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angelos_world-record

Angelos is trying to set a new world record!

Angelos will be running this year’s London Marathon with the aim of setting a new world record for the “fastest marathon dressed as a scientist (male)”. He is running in support of WaterAid, an international charity working to provide clean water and decent toilets to people all over the world. To find out more and […]

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Patrick wins Best Poster prize at the TYC Student Day!

For his contribution “A Machine Learning Potential for Carbon”, Patrick was awarded a Best Poster prize at this year’s TYC Student Day! He was one of the four winners chosen from more than 30 poster presentations, which highlighted the excellent research conducted within the Thomas Young Centre. Patrick had also won the Best Poster prize […]

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incite_titan_summit

INCITE grant awarded for quantum Monte Carlo project!

The proposal titled “New Frontiers for Material Modeling via Machine Learning Techniques with Quantum Monte Carlo” was awarded a 2019 Innovative and Novel Computational Impact on Theory and Experiment (INCITE) grant by the U.S. Department of Energy’s Office of Science. The project lead by Dario Alfè and in collaboration with Gábor Csányi in Cambridge involves […]

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Welcome new ICE group members!

We are happy to welcome some new people who joined the group over the last few weeks. Tai is doing a postdoc in a joint UCL – BP project. Fabian is sharing his PhD time between UCL and Imperial College. Michael already did his Master project in our group and is now continuing his work […]

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Martin_viva

Martin finished his viva!

Congratulations to Martin, who finished his viva last week! His work focused on ice nucleation, in particular on finding descriptors that indicate good ice nucleating agents and the role of dynamical heterogeneity in homogeneous ice nucleation.

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Hever_group

The ICE group survived Hever!

Yesterday morning’s adverse weather conditions (to put it mildly) made the triathlon even more challenging. The swimmers had to cope with very cold water, the hilly bike track was dangerously slippery and the running track was mostly covered in mud. Undeterred, both teams completed the triathlon – soaking wet (even the ones that didn’t swim!) […]

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jpcl-cover-20sep2018

Single-atom alloy Perspective made it onto the JPCL cover!

The next issue of The Journal of Physical Chemistry Letters will feature cover art from the perspective article ‘Lonely Atoms with Special Gifts: Breaking Linear Scaling Relationships in Heterogeneous Catalysis with Single-Atom Alloys’ by Matthew T. Darby, Michail Stamatakis, Angelos Michaelides, and E. Charles H. Sykes. The cover depicts the atomic structure of a so-called […]

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ice-group_hever

The ICE group is Triathlon-ing for WaterAid again!

After last year’s phenomenal victory, the ICE group is participating for the second time in the Hever Castle Triathlon. This year, there will be two relay teams: Phil, Gabriele, and Angelos will compete again in the half-ironman, while Andrea, his wife Sara, and Patrick will compete over the Olympic distance. The ICE group is not only trying […]

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Open Postdoc position

A position for a Research Associate in Computational Catalysis is now open. The project about methane activation at single atom alloys involves collaboration with Dr Michail Stamatakis and Prof. Charlie Sykes. To find out more or to apply, click here.

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Group gatherings